(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide

C13H20N6O — CID 126450922

IUPAC(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(C)n(CCCNC(=O)[C@@H](C)n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-10(18-8-5-7-15-18)13(20)14-6-4-9-19-12(3)16-11(2)17-19/h5,7-8,10H,4,6,9H2,1-3H3,(H,14,20)/t10-/m1/s1
InChIKeyKPFNKEKLBNUMEG-SNVBAGLBSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds6

About (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide (PubChem CID 126450922) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
PubChem CID126450922
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(C)n(CCCNC(=O)[C@@H](C)n2cccn2)n1
InChIInChI=1S/C13H20N6O/c1-10(18-8-5-7-15-18)13(20)14-6-4-9-19-12(3)16-11(2)17-19/h5,7-8,10H,4,6,9H2,1-3H3,(H,14,20)/t10-/m1/s1
InChIKeyKPFNKEKLBNUMEG-SNVBAGLBSA-N
XLogP0.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
2-(4-chloropyrazol-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]propanamide
CID 50968196
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethoxypropanamide
CID 126433222
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
(2S)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrazol-1-ylpropanamide
CID 126433936
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(4-methylphenyl)urea
CID 72891236
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015268

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide (CID 126450922) is (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide is Cc1nc(C)n(CCCNC(=O)[C@@H](C)n2cccn2)n1.
What is the InChIKey of (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is KPFNKEKLBNUMEG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10(18-8-5-7-15-18)13(20)14-6-4-9-19-12(3)16-11(2)17-19/h5,7-8,10H,4,6,9H2,1-3H3,(H,14,20)/t10-/m1/s1.
What are the key properties of (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 126450922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).